0  B3R0.1  C(=O)CCl HMDB0013860 [0,0,0,0,0,0|1,0,2]=3
1  B3R0.1  C=CC=O HMDB0041822 [0,0,0,0,0,0|0,0,4]=4
2  B3R0.1  NCCN HMDB0031225 [0,0,0,0,0,0|2,0,0]=2
3  B2R0.1  CC=O HMDB0000990 [1,0,0,0,0,0|0,0,2]=3
4  B2R0.1  CSC HMDB0002303 [1,0,0,0,0,0|1,0,0]=2
5  B2R0.1  O=C=O HMDB0001967 [1,0,0,0,0,0|1,0,2]=4
6  B2R0.1  O=[Si]=O HMDB0014657 [1,0,0,0,0,0|1,1,1]=4
7  B2R0.1  OC=O HMDB0000142 [1,0,0,0,0,0|1,0,1]=3
8  B2R0.1  [O-][N+]#N HMDB0035807 [1,0,0,0,0,0|2,0,1]=4
9  B4R0.1  CC(=O)NO HMDB0014691 [0,1,0,0,0,0|1,0,1]=3
10  B4R0.1  CC(O)=NN HMDB0060428 [0,1,0,0,0,0|2,0,1]=4
11  B4R0.1  CC(O)CO HMDB0001881 [0,1,0,0,0,0|0,0,0]=1
12  B4R0.1  NC(=O)NO HMDB0015140 [0,1,0,0,0,0|2,0,1]=4
13  B4R0.2  C/C=C\C=O HMDB0034233 [0,1,0,0,0,0|0,0,3]=4
14  B1R0.1  C=O HMDB0001426 [2,0,0,0,0,0|0,0,2]=4
15  B1R0.1  CO HMDB0001875 [2,0,0,0,0,0|0,0,0]=2
16  B1R0.1  II HMDB0000675 [2,0,0,0,0,0|2,0,0]=4
17  B1R0.1  N#N HMDB0001371 [2,0,0,0,0,0|2,0,0]=4
18  B1R0.1  NN HMDB0012973 [2,0,0,0,0,0|2,0,0]=4
19  B1R0.1  NO HMDB0003338 [2,0,0,0,0,0|1,0,0]=3
20  B1R0.1  S=[Se] HMDB0015106 [2,0,0,0,0,0|1,1,0]=4
21  B3R0.2  CC(O)=O HMDB0000042 [1,1,0,0,0,0|0,0,1]=3
22  B3R0.2  CS(C)=O HMDB0002151 [1,1,0,0,0,0|1,0,0]=3
23  B5R0.3  NCC(=O)O[Al] HMDB0015457 [0,2,0,0,0,0|1,0,1]=4
24  B5R0.3  OCC(S)CS HMDB0015677 [0,2,0,0,0,0|0,0,0]=2
25  B5R0.5  CC(O)C([O-])=O HMDB0015671 [0,2,0,0,0,0|0,0,2]=4
26  B5R0.5  C[C@@H](O)[C@@H](C)O HMDB0033007 [0,2,0,0,0,0|0,0,0]=2
27  B5R1.3  ClCC1CO1 HMDB0014796 [0,1,0,1,0,0|0,0,0]=2